EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

chalepensin
6-(1,1-dimethylallyl)-7H-furo(3,2-g)(1)benzopyran-7-one

Supplier Sponsors

Name:6-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one
CAS Number: 13164-03-9Picture of molecule3D/inchi
Nikkaji Web:J15.415F
XlogP3-AA:4.30 (est)
Molecular Weight:254.28518000
Formula:C16 H14 O3
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 390.50 °C. @ 760.00 mm Hg (est)
Flash Point: 374.00 °F. TCC ( 190.00 °C. ) (est)
logP (o/w): 4.320 (est)
Soluble in:
 water, 4.555 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Chalepensin 98%
Odor: characteristic
Use: Chalepensin is a furanocoumarin found in several medicinal Rutaceae plants. Ch
 
Safety Information:
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
natural substances and extractives
Recommendation for chalepensin usage levels up to:
 not for fragrance use.
 
Recommendation for chalepensin flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :128834
National Institute of Allergy and Infectious Diseases:Data
6-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one
Chemidplus:0013164039
 
References:
 6-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):128834
Pubchem (sid):135085713
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEBI:View
CHEMBL:View
KEGG (GenomeNet):C09165
HMDB (The Human Metabolome Database):Search
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 rue
Search Trop Picture
 ruta graveolens flower oil colombia @ 3.09%
Data GC Search Trop Picture
 
Synonyms:
3-(alpha,alpha-dimethyl allyl) psoralen
6-(1,1-dimethyl allyl)-7H-furo(3,2-g)(1)benzopyran-7-one
6-(1-1-dimethyl-2-propenyl)-7H-furo(3,2-g)(1)benzopyran-7-one
6-(1,1-dimethylallyl)-7H-furo(3,2-g)(1)benzopyran-7-one
3-(alpha,alpha-dimethylallyl)psoralen
7H-furo(3,2-g)(1)benzopyran-7-one, 6-(1,1-dimethyl-2-propenyl)- (9CI)
6-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one
 xyloltenin
 

Articles:

PubMed:Mechanism-based inhibition of CYP1A1 and CYP3A4 by the furanocoumarin chalepensin.
PubMed:A dual function of the furanocoumarin chalepensin in inhibiting Cyp2a and inducing Cyp2b in mice: the protein stabilization and receptor-mediated activation.
PubMed:Furanocoumarins from Dorsteniafoetida.
PubMed:Mechanism-based inhibition of cytochrome P450 (CYP)2A6 by chalepensin in recombinant systems, in human liver microsomes and in mice in vivo.
PubMed:Allelochemicals from Stauranthus perforatus, a Rutaceous tree of the Yucatan Peninsula, Mexico.
PubMed:New quinoline alkaloids from Ruta chalepensis.
PubMed:High-resolution gas-chromatographic analysis of the secondary metabolites obtained by subcritical-fluid extraction from Colombian rue (Ruta graveolens L.).
PubMed:Effect of selected coumarins on spinach chloroplast photosynthesis.
PubMed:Antifertility principle of Ruta graveolens.
PubMed:[Photoisomerization of chalepensin to rutolide (Clausindin)].
 
Notes:
None found
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